(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

C18H24N4O2 — CID 124728722

IUPAC(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C)C1
InChIInChI=1S/C18H24N4O2/c1-14-11-16(22-10-4-8-19-22)6-7-17(14)20-18(23)21-9-3-5-15(12-21)13-24-2/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFDNUPEPSCDCZKW-OAHLLOKOSA-N
MW328.42 g/mol
LogP3.07
Rot. Bonds4

About (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 124728722) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
PubChem CID124728722
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C)C1
InChIInChI=1S/C18H24N4O2/c1-14-11-16(22-10-4-8-19-22)6-7-17(14)20-18(23)21-9-3-5-15(12-21)13-24-2/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFDNUPEPSCDCZKW-OAHLLOKOSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134012
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
ethyl (3S)-1-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 122145844
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (CID 124728722) is (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is COC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is FDNUPEPSCDCZKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-11-16(22-10-4-8-19-22)6-7-17(14)20-18(23)21-9-3-5-15(12-21)13-24-2/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
(3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-N-(2-methyl-4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 124728722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).